Information card for entry 7109322

Structure parameters

• Formula: C56 H48 N4 Na4 O8
• Calculated formula: C56 H48 N4 Na4 O8
• SMILES: [Na]1234[O]5([Na]678[O]9%10[Na]%11%12([O]26c2ccccc2C=[N]8c2ccccc2[O]7C)[O]3([Na]259[O](c3c([N]2=Cc2c%10cccc2)cccc3)C)c2ccccc2C=[N]%12c2ccccc2[O]%11C)c2ccccc2C=[N]4c2ccccc2[O]1C
• Title of publication: Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation
• Authors of publication: Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4992
• a: 16.3906 ± 0.0009 Å
• b: 16.5378 ± 0.0009 Å
• c: 18.1746 ± 0.0011 Å
• α: 90°
• β: 100.293 ± 0.001°
• γ: 90°
• Cell volume: 4847.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No